Details of the Drug

General Information of Drug (ID: DM90SHY)

Drug Name

METIAPRIL

Synonyms

Methiopril; Cis-1-[3-(Acetylsulfanyl)propionyl]-6-methylpiperidine-2-carboxylic acid

Indication

Disease Entry	ICD 11	Status	REF
Hypotension	BA20-BA21	Discontinued in Phase 2	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

273.35

Logarithm of the Partition Coefficient (xlogp)

1

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C12H19NO4S
IUPAC Name: (2S,6S)-1-(3-acetylsulfanylpropanoyl)-6-methylpiperidine-2-carboxylic acid
Canonical SMILES: C[C@H]1CCC[C@H](N1C(=O)CCSC(=O)C)C(=O)O
InChI: InChI=1S/C12H19NO4S/c1-8-4-3-5-10(12(16)17)13(8)11(15)6-7-18-9(2)14/h8,10H,3-7H2,1-2H3,(H,16,17)/t8-,10-/m0/s1
InChIKey: JHFOAISYWJRTIM-WPRPVWTQSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Angiotensin-converting enzyme (ACE)	TTL69WB	ACE_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Hypotension

ICD Disease Classification

BA20-BA21

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Angiotensin-converting enzyme (ACE)	DTT	SLC33A1	2.62E-01	-0.01	-0.06

Molecular Expression Atlas (MEA)

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References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800005081)
2	The clinical efficacy of the first Russian angiotensin-converting enzyme inhibitor methiopril in patients with heart failure. Klin Med (Mosk). 1995;73(3):49-51.